cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone

C22H30N2O2 — CID 38382766

IUPACcyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H30N2O2/c25-21(18-7-2-1-3-8-18)23-13-11-19(12-14-23)22(26)24-15-10-17-6-4-5-9-20(17)16-24/h4-6,9,18-19H,1-3,7-8,10-16H2
InChIKeyUKXTXCURQPFAPP-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.39
Rot. Bonds2

About cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone

cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone (PubChem CID 38382766) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
PubChem CID38382766
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Namecyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H30N2O2/c25-21(18-7-2-1-3-8-18)23-13-11-19(12-14-23)22(26)24-15-10-17-6-4-5-9-20(17)16-24/h4-6,9,18-19H,1-3,7-8,10-16H2
InChIKeyUKXTXCURQPFAPP-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222
2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 69041392
cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47180816
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 4688630
2-(4-chlorophenyl)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 33335069
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 38383791
(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66030477
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
3,4-dihydro-1H-isoquinolin-2-yl-[1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 46515588
3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 32615042
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]methanone
CID 131917103

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone (CID 38382766) is cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1.
What is the InChIKey of cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone?
The InChIKey is UKXTXCURQPFAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-21(18-7-2-1-3-8-18)23-13-11-19(12-14-23)22(26)24-15-10-17-6-4-5-9-20(17)16-24/h4-6,9,18-19H,1-3,7-8,10-16H2.
What are the key properties of cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone?
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone has a molecular weight of 354.49 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 38382766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).